4-[[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]methyl]benzoic acid Formula: C15H16ClN3O3 MolecularWeight: 321.75884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(C=N1)NCC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=C(C=N1)NCC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C15H16ClN3O3/c1-9(2)19-14(20)13(16)12(8-18-19)17-7-10-3-5-11(6-4-10)15(21)22/h3-6,8-9,17H,7H2,1-2H3,(H,21,22)